1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene

C10H16S — CID 14064506

IUPAC1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C10H16S/c1-6-7(2)9(4)10(11-5)8(6)3/h10H,1-5H3
InChIKeyXPIYHOCJICEBOB-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.40
Rot. Bonds1

About 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene

1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene (PubChem CID 14064506) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
PubChem CID14064506
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
SMILESCSC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C10H16S/c1-6-7(2)9(4)10(11-5)8(6)3/h10H,1-5H3
InChIKeyXPIYHOCJICEBOB-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetramethyl(2-methylthioethyl)cyclopentadiene
CID 15769687
5-Tert-butylsulfanyl-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 15846890
4,5-Dibutyl-2,3-dihydrothiophene
CID 121007950
(E)-5-methyl-6-propylsulfanyldec-5-ene
CID 132579850
(E)-4-ethyl-5-methylsulfanyloct-4-ene
CID 134851418
Furfuryl pentyl sulfide
CID 528329
2,3,4,5-Tetramethylcyclopenta-2,4-diene-1-thiol
CID 14064505
1,2,3,4-Tetramethyl-5-propylsulfanylcyclopenta-1,3-diene
CID 15823249
3,4,6,7-Tetramethyl-2,5-dihydrothiepine
CID 18339224
2,3-Di(propan-2-ylidene)thiolane
CID 57564427
CID 58174591
CID 58174591
4-Ethenyl-2,5-dimethyl-2,3-dihydrothiophene
CID 68199908

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene (CID 14064506) is 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene is CSC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene?
The InChIKey is XPIYHOCJICEBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-6-7(2)9(4)10(11-5)8(6)3/h10H,1-5H3.
What are the key properties of 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene?
1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene has a molecular weight of 168.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-methylsulfanylcyclopenta-1,3-diene is sourced from PubChem (CID 14064506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).